1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine

C16H22BrClN2 — CID 66156264

IUPAC1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
SMILESClc1ccc(Br)c(CN2CCCC(C3CCCN3)C2)c1
InChIInChI=1S/C16H22BrClN2/c17-15-6-5-14(18)9-13(15)11-20-8-2-3-12(10-20)16-4-1-7-19-16/h5-6,9,12,16,19H,1-4,7-8,10-11H2
InChIKeyPDTSUKLJRDKIFE-UHFFFAOYSA-N
MW357.72 g/mol
LogP4.07
Rot. Bonds3

About 1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine

1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine (PubChem CID 66156264) has the molecular formula C16H22BrClN2 and a molecular weight of 357.72 g/mol. Its IUPAC name is 1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
PubChem CID66156264
Molecular FormulaC16H22BrClN2
Molecular Weight357.72 g/mol
Exact Mass356.07
IUPAC Name1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
SMILESClc1ccc(Br)c(CN2CCCC(C3CCCN3)C2)c1
InChIInChI=1S/C16H22BrClN2/c17-15-6-5-14(18)9-13(15)11-20-8-2-3-12(10-20)16-4-1-7-19-16/h5-6,9,12,16,19H,1-4,7-8,10-11H2
InChIKeyPDTSUKLJRDKIFE-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 66157263
1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 62085592
1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 102616953
6-[(2-bromo-5-methoxyphenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682194
(4aS,7aS)-6-[(4-chloro-2-methylphenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 113467503
1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 60977609
1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 65476831
(4aS,7aS)-6-[(6-chloro-1H-indol-3-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678744
2-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-4,6-dichlorophenol
CID 103887070
6-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682499
(4aR,8aS)-6-[(2-chloro-6-fluorophenyl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 146040171
(2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60978829

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine (CID 66156264) is 1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine is Clc1ccc(Br)c(CN2CCCC(C3CCCN3)C2)c1.
What is the InChIKey of 1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
The InChIKey is PDTSUKLJRDKIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2/c17-15-6-5-14(18)9-13(15)11-20-8-2-3-12(10-20)16-4-1-7-19-16/h5-6,9,12,16,19H,1-4,7-8,10-11H2.
What are the key properties of 1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine has a molecular weight of 357.72 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 66156264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).